3-(1,3-benzothiazol-2-yl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]propionamide Formula: C18H28N4OS+2 MolecularWeight: 348.50612

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H26N4OS/c1-21-11-13-22(14-12-21)10-4-9-19-17(23)7-8-18-20-15-5-2-3-6-16(15)24-18/h2-3,5-6H,4,7-14H2,1H3,(H,19,23)/p+2